2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole

C12H14N6 — CID 56739889

IUPAC2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole
SMILESc1cn(CCCn2ccnc2-c2cnc[nH]2)cn1
InChIInChI=1S/C12H14N6/c1(4-17-6-2-13-10-17)5-18-7-3-15-12(18)11-8-14-9-16-11/h2-3,6-10H,1,4-5H2,(H,14,16)
InChIKeyFQCMQMQBZLZSDQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.56
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole

2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole (PubChem CID 56739889) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole
PubChem CID56739889
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole
SMILESc1cn(CCCn2ccnc2-c2cnc[nH]2)cn1
InChIInChI=1S/C12H14N6/c1(4-17-6-2-13-10-17)5-18-7-3-15-12(18)11-8-14-9-16-11/h2-3,6-10H,1,4-5H2,(H,14,16)
InChIKeyFQCMQMQBZLZSDQ-UHFFFAOYSA-N
XLogP1.56
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
MAT-POS-ea426761-49
CID 56864220
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
5-(1H-imidazol-2-yl)-1H-imidazole-4-carbonitrile
CID 44339716
[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methanamine
CID 44339734
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 70781125
5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole (CID 56739889) is 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole is c1cn(CCCn2ccnc2-c2cnc[nH]2)cn1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole?
The InChIKey is FQCMQMQBZLZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1(4-17-6-2-13-10-17)5-18-7-3-15-12(18)11-8-14-9-16-11/h2-3,6-10H,1,4-5H2,(H,14,16).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole?
2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole has a molecular weight of 242.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(3-imidazol-1-ylpropyl)imidazole is sourced from PubChem (CID 56739889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).